SCHEMBL13640768

SCHEMBL13640768

CCOC(=O)NC1CCCCC(N2CCC3(CC2)CN(C(C)=O)c2ccccc23)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.50
SLC18A3 Q16572 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
OPRL1 P41146 3/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2B Q13224 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
DRD2 P14416 1/20 0.37
OPRM1 P35372 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13640704 0.90 NOTUM (0.40) NOTUMLMNAMAPTKDM4EPOLB
SCHEMBL13641040 0.88 NOTUM (0.53) NOTUMLMNAMAPTPOLBDRD2
SCHEMBL13641030 0.88 NOTUM (0.39) NOTUMDRD2
SCHEMBL13640820 0.86 SETD2 (0.39) NOTUMLMNAMAPTKCNH2GRIN2B
SCHEMBL13640829 0.81 SIGMAR1 (0.49) SLC18A3SIGMAR1LMNAMAPTOPRL1
SCHEMBL12084247 0.81 NOTUM (0.54) NOTUMKCNH2
SCHEMBL13640862 0.80 MEN1 (0.39) KDM4EDRD2
SCHEMBL13000373 0.80 NOTUM (0.56) NOTUMKCNH2POLB
SCHEMBL13640752 0.80 MAPT (0.41) LMNAMAPTOPRL1KCNH2GRIN2B
SCHEMBL13640880 0.80 CTSS (0.37) DRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497295-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-30 US disclosed
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM5 NOTUM 2979/4885SLC18A3 319/4885SIGMAR1 253/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.